4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide

HCID 6604878

기본 정보

표준 SMILES
C=CCN1C[C@H](C)N([C@@H](c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)C[C@H]1C
InChIKey
WGIDFDFAOQVAHY-UFPGJGBJSA-N
분자식
C27H37N3O
평균 분자량
419.6 g/mol
단동위원소 질량
419.29366281

이름 및 식별자

우선 이름
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
IUPAC
4-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-phenylmethyl]-N,N-diethylbenzamide

이름 및 동의어

SNC 162SNC162178803-51-54-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-phenylmethyl]-N,N-diethylbenzamide4-[(S)-[(2S,5R)-2,5-DIMETHYL-4-(2-PROPENYL)-1-PIPERAZINYL]PHENYLMETHYL]-N,N-DIETHYLBENZAMIDE4-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-1-piperazinyl]-phenylmethyl]-N,N-diethylbenzamideCHEMBL153648Tocris-1529orb1704048SCHEMBL4576186CHEBI:107652WGIDFDFAOQVAHY-UFPGJGBJSA-N
이름 더 보기
HMS3268A21EX-A14334AKOS024456650NCGC00025203-01DA-77901MS-32588HY-107741CS-0029433

데이터베이스 식별자

PubChem CID
6604878
ChEMBL
CHEMBL153648
ChEBI
CHEBI:107652
Nikkaji
J813.662I

물성

구조 계산 물성

XLogP
5
극성 표면적
26.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
8
무거운 원자 수
31

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11건

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