1-Ethyl-3,3,5-trimethyl-7-[(2-pyridin-3-yl-ethylamino)methyl]-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione

HCID 66959907

기본 정보

표준 SMILES
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(CNCCc3cccnc3)ccc21
InChIKey
CASQLHLNHHHFNS-UHFFFAOYSA-N
분자식
C22H28N4O2
평균 분자량
380.5 g/mol

이름 및 식별자

우선 이름
1-Ethyl-3,3,5-trimethyl-7-[(2-pyridin-3-yl-ethylamino)methyl]-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione
IUPAC
1-ethyl-3,3,5-trimethyl-7-[(2-pyridin-3-ylethylamino)methyl]-1,5-benzodiazepine-2,4-dione

이름 및 동의어

SCHEMBL1236700CASQLHLNHHHFNS-UHFFFAOYSA-N1-ethyl-3,3,5-trimethyl-7-[(2-pyridin-3-yl-ethylamino)methyl]-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione1-ethyl-3,3,5-trimethyl-7-[(2-pyridin-3-ylethylamino)methyl]-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione1-ethyl-3,3,5-trimethyl-7-[(2-pyridine 3-ylethylamino)methyl]-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dion e1-ethyl-3,3,5-trimethyl-7-[(2-pyridine 3-ylethylamino)methyl]-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione1-ethyl-3,3,5-trimethyl-7-{[N-(2-pyridin-3-ylethyl)amino]methyl}-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione

데이터베이스 식별자

PubChem CID
66959907

물성

구조 계산 물성

XLogP
2.1
극성 표면적
65.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
6
무거운 원자 수
28

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