4-[4-[(4-Cyano-1H-pyrrole-2-carbonyl)-amino]-3-(4-methyl-piperidin-1-yl)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester (HCID 58638522)

기본 정보

표준 SMILES: CC1CCN(c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2NC(=O)c2cc(C#N)c[nH]2)CC1
InChIKey: VFTFKVGWLOAYSL-UHFFFAOYSA-N
분자식: C27H36N6O3
평균 분자량: 492.6 g/mol
단동위원소 질량: 492.28488903

이름 및 식별자

우선 이름: 4-[4-[(4-Cyano-1H-pyrrole-2-carbonyl)-amino]-3-(4-methyl-piperidin-1-yl)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester
IUPAC: tert-butyl 4-[4-[(4-cyano-1H-pyrrole-2-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxylate

이름 및 동의어

SCHEMBL3538075SCHEMBL31157968VFTFKVGWLOAYSL-UHFFFAOYSA-N4-[4-[(4-Cyano-1H-pyrrole-2-carbonyl)-amino]-3-(4-methyl-piperidin-1-yl)-phenyl]-piperazine-1-carboxylic acid tert-butyl estert-butyl 4-(4-(4-cyano-1h-pyrrole-2-carboxamido)-3-(4-methylpiperidin-1-yl)phenyl)piperazine-1-carboxylate

데이터베이스 식별자

PubChem CID: 58638522

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 105 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 6
무거운 원자 수: 36
형식 전하: 0
복잡도: 819

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