(-) (2aR,4S)-6-acetyl-4-[di(cyclopropylmethyl)amino]-1,2,2a,3,4,5-hexahydrobenz[cd]indole

HCID 18654740

기본 정보

표준 SMILES
CC(=O)c1ccc2c3c1C[C@@H](N(CC1CC1)CC1CC1)C[C@H]3CN2
InChIKey
NYPJYJAWPKMNJI-IRXDYDNUSA-N
분자식
C21H28N2O
평균 분자량
324.5 g/mol
단동위원소 질량
324.22016352

이름 및 식별자

우선 이름
(-) (2aR,4S)-6-acetyl-4-[di(cyclopropylmethyl)amino]-1,2,2a,3,4,5-hexahydrobenz[cd]indole
IUPAC
1-[(2aR,4S)-4-[bis(cyclopropylmethyl)amino]-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]ethanone

이름 및 동의어

SCHEMBL8128393NYPJYJAWPKMNJI-IRXDYDNUSA-N(-)(2aR,4S)-6-acetyl-4-[di(cyclopropylmethyl)amino]-1,2,2a,3,4,5-hexahydrobenz[cd]indole(-) (2aR,4S)-6-acetyl-4-[di(cyclopropylmethyl)amino]-1,2,2a,3,4,5-hexahydrobenz[cd]indole(-) (2aR,4S)-6-acetyl-4-[di-(cyclopropylmethyl)amino]-1,2,2a,3,4,5-hexahydrobenz[cd]indole(-)(2aR, 4S)-6-acetyl-4-[di(cyclopropylmethyl)amino]-1,2,2a,3,4,5-hexahydrobenz[cd]indole(-)(2aR,4S)-6-acetyl-4-[di -(cyclopropylmethyl)amino]-1,2,2a,3,4,5-hexahydrobenz -[cd]indole(-)(2aR,4S)-6-acetyl-4-[di-(cyclopropylmethyl)amino]-1,2,2a, 3,4,5-hexahydrobenz-[cd]indole(-)(2aR,4S)-6-acetyl-4-[di-(cyclopropylmethyl)amino]-1,2,2a,3,4, 5-hexahydrobenz[cd]indole(-)(2aR,4S)-6-acetyl-4-[di-(cyclopropylmethyl)amino]-1,2,2a,3,4,5-hexahydrobenz-[cd]indole(-)(2aR,4S)-6-acetyl-4-[di-(cyclopropylmethyl)amino]-1,2,2a,3,4,5-hexahydrobenz[cd]indole

데이터베이스 식별자

PubChem CID
18654740

물성

구조 계산 물성

XLogP
3.4
극성 표면적
32.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
6
무거운 원자 수
24

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